SCHEMBL6971187

SCHEMBL6971187

CC(=O)c1cnn(-c2nccc(C)n2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
UBE2M P61081 4/20 0.45
DCUN1D1 Q96GG9 4/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
SPR P35270 1/20 0.37
NAMPT P43490 1/20 0.37
P2RX7 Q99572 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6969073 0.83 KMT2A (0.55) MAPK1MAPTHPGDUBE2MDCUN1D1
SCHEMBL6962499 0.83 MAPK1 (0.61) MAPK1MAPTHPGDUBE2MDCUN1D1
SCHEMBL10559859 0.75 KMT2A (0.46) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL30713084 0.74 POLB (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL10515588 0.74 KMT2A (0.55) MAPTHPGDKDM4EALDH1A1TDP1
SCHEMBL10516201 0.74 KMT2A (0.45) MAPTHPGDKDM4EALDH1A1KMT2A
SCHEMBL27171630 0.74 POLB (0.56) MAPTKDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL6970997 0.73 KMT2A (0.67) MAPK1MAPTHPGDALDH1A1KMT2A
SCHEMBL7239726 0.72 MAPK1 (0.73) MAPK1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL1574919 0.72 MAPK1 (0.63) MAPK1MAPTHPGDKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784055-B1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
CN-1071754-C Pyrimidinylpyrazole derivative DAIICHI SEIYAKU CO (JP) 2001-09-26 CN disclosed
US-5852019-A Pyrimidinylpyrazole derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-22 US disclosed
CN-1166833-A pyrimidinyl pyrazole derivatives DAIICHI SEIYAKU CO (JP) 1997-12-03 CN disclosed
EP-0784055-A1 PYRIMIDINYLPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP disclosed